József Karger-Kocsis, Stoyko Fakirov
Nano- and Micromechanics of Polymer Blends and Composites
Preface
6
Content
8
Contributors
18
PART I POLYMERS
24
Chapter 1 Nano- and Micromechanics of Crystalline Polymers
26
1.1. Introduction
26
1.2. Tensile deformation of crystalline polymers
27
1.3. Cavitation in tensile deformation
27
1.4. Tensile deformation of polyethylene and polypropylene
31
1.5. Deformation micromechanisms in crystalline polymers
36
1.6. Molecular mechanisms at a nanometer scale
39
1.7. Dislocations in crystal plasticit
46
1.8. Generation of dislocations
48
1.9. Competition between crystal plasticity and cavitation
57
1.10. Micromechanics modeling in semicrystalline polymers
58
1.10.1. Microstructure and mechanical properties
58
1.10.2. The micromechanical models
59
1.10.3. Idealizing the microstructure of semicrystalline polymers
61
1.10.4. Elastic behavior prediction
63
References
71
Chapter 2 Modeling Mechanical Propertiesof Segmented Polyurethanes
82
2.1. Introduction
82
2.2. Predicting Young's modulus of segmented polyurethanes
86
2.2.1. Relationship between Young's modulus and formulation – experimental observations
86
2.2.2. Theory
87
2.2.3. Young's modulus: comparing theory with experiments
95
2.3. Modeling tensile stress-strain behavior
99
2.4. Linear viscoelasticity
105
2.5. Non-equilibrium factors and their influence on mechanical properties
107
2.6. Conclusions and Outlook
107
Acknowledgment
108
References
108
PART II NANOCOMPOSITES:INFLUENCE OF PREPARATION
114
Chapter 3 Nanoparticles/Polymer Composites:Fabrication and Mechanical Properties
116
3.1. Introduction
116
3.2. Dispersion-oriented manufacturing of nanocomposites
118
3.2.1. Conventional two-step manufacturing
118
3.2.2. Specific two-step manufacturing
130
3.2.3. One-step manufacturing
141
3.3. Dispersion and filler/matrix interaction-oriented manufacturing of nanocomposites
143
3.3.1. Two-step manufacturing in terms of in situ reactive compatibilization
143
3.3.2. One-step manufacturing in terms of in situ graft and crosslinking
147
3.4. Dispersion, filler/filler interaction and filler/matrix interactionoriented manufacturing of nanocomposites
152
3.5. Conclusions
158
Acknowledgements
159
References
159
Chapter 4 Rubber Nanocomposites: New Developments, New Opportunities
164
4.1. Introduction
164
4.2. General considerations on elastomeric composites
165
4.3. Spherical in situ generated reinforcing particles
167
4.4. Carbon nanotube-filled rubber composites
176
4.5. Conclusions
184
References
185
Chapter 5 Organoclay, Particulate and Nanofibril Reinforced Polymer-Polymer Composites: Manufacturing, Modeling and Applications
190
5.1. Introduction
190
5.2. Polypropylene/organoclay nanocomposites: experimental characterisation and modeling
192
5.2.1. Peculiarities of polymer/clay nanocomposites
192
5.2.2. Parametric study and associated properties of PP/organoclay nanocomposites
194
5.2.3. Evaluation of the experimental data by means of Taguchi and Pareto ANOVA methods
197
5.2.4. Materials, manufacturing and characterization of nano composites
201
5.2.5. Analytical models for composites
202
5.2.6. Comparisons of experimental results with the calculated values
205
5.3. The dispersion problem in the case of polymer-polymer nanocomposites
208
5.3.1. Manufacturing of nanofibrillar polymer-polymer composites
210
5.3.2. Nanofibrillar vs. microfibrillar polymer-polymer composites and their peculiarities
211
5.4. Directional, thermal and mechanical characterization of polymerpolymernanofibrillar composites
213
5.4.1. Directional state of NFC as revealed by wide-angle X-ray scattering
213
5.4.2. Thermal characterization of NFC
215
5.4.3. Mechanical properties of NFC
216
5.5. Potentials for application of nanofibrillar composites and the materials developed from neat nanofibrils
219
5.6. Conclusions and outlook
222
References
224
PART III NANO- AND MICROCOMPOSITES:INTERPHASE
230
Chapter 6 Viscoelasticity of Amorphous Polymer Nanocomposites with Individual Nanoparticles
232
6.1. Introduction
232
6.2. Brief physics of amorphous polymer matrices
233
6.2.1. Equilibrium structure of amorphous chains
233
6.2.2. Microscopic relaxation modes and segmental mobility
235
6.2.3. Entropy vs. energy driven mechanical response
237
6.3. Basic aspects of amorphous polymer nanocomposites
239
6.3.1. Structure of surface adsorbed chains
240
6.3.2. Segmental immobilization of chains in the presence of solid surfaces
242
6.4. Reinforcement of amorphous nanocomposite below and abovematrix Tg
245
6.5. Strain induced softening of amorphous polymer nanocomposites
251
6.6. Relaxation of chains in the presence of nanoparticles
256
6.7.`Conclusions and outlook
258
References
259
Chapter 7 Interphase Phenomena in Polymer Micro- and Nanocomposites
264
7.1. Introduction
264
7.2. Micro-scale interphase in polymer composites
269
7.3. Nano-scale interphase
273
7.4. Chain immobilization on the nano-scale
275
7.5. Characteristic length-scale in polymer matrix nanocomposites
278
7.6. Conclusions and outlook
280
References
281
PART IV NANO- AND MICROCOMPOSITES: CHARACTERIZATION
290
Chapter 8 Deformation Behavior of Nanocomposites Studied by X-Ray Scattering: Instrumentation and Methodology
292
8.1. Introduction
292
8.2. Scattering theory and materials structure
295
8.2.1. Relation between a CDF and IDFs
298
8.3. Analysis options derived from scattering theory
299
8.3.1. Completeness – a preliminary note
299
8.3.2. Analysis options
299
8.3.3. Parameters, functions and operations
300
8.4. The experiment
301
8.4.1. Principal design
301
8.4.2. Engineering solutions
302
8.4.3. Scattering data and its evaluation
307
8.5. Techniques: Dynamic vs. stretch-hold
309
8.6. Advanced goal: Identification of mechanisms
309
8.7. Observed promising effects from stretch-hold experiments
312
8.7.1. Orientation of nanofibrils in highly oriented polymer blends by means of USAXS
312
8.7.2. USAXS studies on undrawn and highly drawn PP/PET blends
314
8.8. Choosing experiments
316
8.8.1. Experiments with a macrobeam
316
8.8.2. Experiments with a microbeam
317
8.9. Conclusion and outlook
318
References
319
Chapter 9 Creep and Fatigue Behavior of Polymer Nanocomposites
324
9.1. Introduction
324
9.2. Generalities on the creep behavior of viscoelastic materials
325
9.3. Generalities on the fatigue resistance of polymeric materials
329
9.4. Creep behavior of polymer nanocomposites
332
9.4.1. Creep response of PNCs containing one-dimensional nanofillers
332
9.4.2. Creep response of PNCs containing two-dimensional nanofillers
338
9.4.3. Creep response of PNCs containing three-dimensional nanoparticles
340
9.5. Fatigue resistance of polymer nanocomposites
344
9.5.1. Fatigue behavior of PNCs containing one-dimensionalnanofillers
345
9.5.2. Fatigue behavior of PNCs containing two-dimensional nanofillers
349
9.5.3. Fatigue behavior of PNCs containing three-dimensional nanoparticles
355
9.6. Conclusions and outlook
357
References
358
Chapter 10 Deformation Mechanisms of Functionalized Carbon Nanotube Reinforced Polymer Nanocomposites
364
10.1. Introduction
364
10.2. Deformation characteristics
366
10.2.1. CNT/glassy thermoplastic nanocomposites
368
10.2.2. CNT/semicrystalline thermoplastic nanocomposites
379
10.2.3. CNT/epoxy nanocomposites
385
10.2.4. CNT/elastomer nanocomposites
392
10.3. Conclusions
394
References
394
Chapter 11 Fracture Properties and Mechanisms of Polyamide/Clay Nanocomposites
400
11.1. Introduction
400
11.2. Dispersion of clay in polymers
401
11.3. Crystallization behavior
407
11.4. Fracture properties and mechanisms
410
11.4.1. Improved toughness in polymer/clay nanocomposites
410
11.4.2. Brittleness of polymer/clay nanocomposites
416
11.4.3. Approaches to improve fracture toughness of polymer/claynanocomposites
422
11.5. Conclusions and outlook
437
References
438
Chapter 12 On the Toughness of "Nanomodified" Polymers and Their Traditional Polymer Composites
448
12.1. Introduction
448
12.2. Toughness assessment
450
12.3. Nanomodified thermoplastics
451
12.3.1. Amorphous polymers
451
12.3.2. Semicrystalline polymers
455
12.4. Nanomodified thermosets
467
12.4.1. (Neat) Resins
467
12.4.2. Toughened and hybrid resins
476
12.5. Nanomodified traditional composites
479
12.5.1. Thermoplastic matrices
480
12.5.2. Thermoset matrices
480
12.6. Conclusions and outlook
483
References
484
Chapter 13 Micromechanics of Polymer Blends: Microhardness of Polymer Systems Containing a Soft Componentand/or Phase
494
13.1. Introduction
494
13.2. The peculiarity of polymer systems containing a soft component and/or phase
495
13.3. Comparison between measured and computed microhardness values for various systems
500
13.3.1. Two-component multiphase systems comprising soft phase(s) (blends of semicrystalline homopolymers)
500
13.3.2. One-component multiphase systems containing soft phase(s) (polyblock copolymers)
501
13.3.3. Two-component one-phase systems (miscible blends of amorphous polymers)
505
13.3.4. Two-component two-phase amorphous systems containing a soft phase
507
13.3.5. One-component two-phase systems (semicrystalline polymers with Tg below room temperature)
510
13.4. Main factors determining the microhardness of polymer systems containing a soft component and/or phase
512
13.4.1. Importance of the ratio hard/soft components (or phases)
512
13.4.2. Crystalline or amorphous solids
513
13.4.3. Copolymers vs. polymer blends
515
13.4.4. New data on the relationship between H and Tg of amorphous polymers
516
13.4.5. Modified additivity law for systems containing soft component and/or phase
518
13.5. Microhardness on the interphase boundaries in polymer blends and composites and doubly injection molding processing
518
13.5.1. Microhardness on the interphase boundaries in polymer blends
518
13.5.2. Microhardness on the interphase boundaries in polymers after double injection molding processing
525
13.6. Conclusions and outlook
533
References
535
PART V NANOCOMPOSITES: MODELING
540
Chapter 14 Some Monte Carlo Simulations on Nanoparticle Reinforcement of Elastomers
542
14.1. Introduction
542
14.2. Description of simulations
543
14.2.1. Rotational isomeric state theory for conformation-dependent properties
543
14.2.2. Distribution functions
543
14.2.3. Applications to unfilled elastomers
544
14.2.4. Applications to filled elastomers
545
14.3. Spherical particles
545
14.3.1. Particle sizes, shapes, concentrations, and arrangements
545
14.3.2. Distributions of chain end-to-end distances
546
14.3.3. Stress-strain isotherms
548
14.3.4. Effects of arbitrary changes in the distributions
549
14.3.5. Some preliminary results on physisorption
551
14.3.6. Relevance of cross linking in solution
553
14.3.7. Detailed descriptions of conformational changes during chain extension
557
14.4. Ellipsoidal particles
557
14.4.1. General features
557
14.4.2. Oblate ellipsoids
559
14.5. Aggregated particles
560
14.5.1. Real systems
560
14.5.2. Types of aggregates for modeling
560
14.5.3. Deformabilities of aggregates
561
14.6. Potential refinements
561
14.7. Conclusions
561
References
562
Chapter 15 Modeling of Polymer Clay Nanocomposites for a Multiscale Approach
568
15.1. Introduction
568
15.2. Sequential multiscale modeling
570
15.3. Representative volume element
571
15.3.1. Effective elastic material properties
572
15.3.2. Statistical ensemble
573
15.3.3. Periodic boundary conditions
574
15.4. Generating RVE geometry
576
15.4.1. Number of platelets
576
15.4.2. Generation of platelet configurations
577
15.5. Periodic finite element mesh
579
15.6. Numerical solution process
581
15.6.1. Finite element analysis of boundary value problem
581
15.6.2. Ensemble averaged elastic properties
583
15.6.3. Automation
584
15.7. Elastic RVE numerical results
585
15.7.1. Fully exfoliated straight platelets
588
15.7.2. Effect of platelet orientation
590
15.7.3. Curved platelets
592
15.7.4. Multi-layer stacks of intercalated platelets
595
15.8. Conclusions
597
References
599
List of Acknowledgements
602
Author Index
614
Subject Index
620
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